3-[(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 3-[(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[[5-(1-piperidylsulfonyl)-2-pyridyl]sulfanylmethyl]benzonitrile CAS Name: 3-[[[5-(1-piperidinylsulfonyl)-2-pyridinyl]thio]methyl]benzonitrile IUPAC Name: 3-[(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]benzonitrile Traditional Name: 3-[[(5-piperidinosulfonyl-2-pyridyl)thio]methyl]benzonitrile Formula: C18H19N3O2S2 MolecularWeight: 373.49236

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC3=CC=CC(=C3)C#N

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC3=CC=CC(=C3)C#N

InChI

InChI=1S/C18H19N3O2S2/c19-12-15-5-4-6-16(11-15)14-24-18-8-7-17(13-20-18)25(22,23)21-9-2-1-3-10-21/h4-8,11,13H,1-3,9-10,14H2